(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide

C18H15N3O4S — CID 11003161

IUPAC(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)NO
InChIInChI=1S/C18H15N3O4S/c22-17(20-23)11-8-13-6-9-15(10-7-13)21-26(24,25)16-5-1-3-14-4-2-12-19-18(14)16/h1-12,21,23H,(H,20,22)/b11-8+
InChIKeyKNLUVNRRWMZLEB-DHZHZOJOSA-N
MW369.40 g/mol
LogP2.55
Rot. Bonds5

About (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide (PubChem CID 11003161) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
PubChem CID11003161
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)NO
InChIInChI=1S/C18H15N3O4S/c22-17(20-23)11-8-13-6-9-15(10-7-13)21-26(24,25)16-5-1-3-14-4-2-12-19-18(14)16/h1-12,21,23H,(H,20,22)/b11-8+
InChIKeyKNLUVNRRWMZLEB-DHZHZOJOSA-N
XLogP2.55
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
CID 10992230
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
CID 95781119
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
CID 74014271
N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
CID 5045370
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]quinoline-8-sulfonamide
CID 3866993

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide (CID 11003161) is (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide?
The InChIKey is KNLUVNRRWMZLEB-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-17(20-23)11-8-13-6-9-15(10-7-13)21-26(24,25)16-5-1-3-14-4-2-12-19-18(14)16/h1-12,21,23H,(H,20,22)/b11-8+.
What are the key properties of (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide has a molecular weight of 369.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 11003161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).